2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylpropyl 2-cyclopentylpentanoate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylpropyl 2-cyclopentylpentanoate Openeye Name: citric acid; 2-pyrrolidin-1-ylpropyl 2-cyclopentylpentanoate CAS Name: 2-cyclopentylpentanoic acid 2-(1-pyrrolidinyl)propyl ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-pyrrolidin-1-ylpropyl 2-cyclopentylpentanoate Traditional Name: citric acid; 2-cyclopentylvaleric acid 2-pyrrolidinopropyl ester Formula: C23H39NO9 MolecularWeight: 473.55706

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CCCC1)C(=O)OCC(C)N2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCC(C1CCCC1)C(=O)OCC(C)N2CCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H31NO2.C6H8O7/c1-3-8-16(15-9-4-5-10-15)17(19)20-13-14(2)18-11-6-7-12-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h14-16H,3-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)